2-(furan-2-ylmethyl)-3-(4-methylphenoxy)propan-1-ol

C15H18O3 — CID 117246279

IUPAC2-(furan-2-ylmethyl)-3-(4-methylphenoxy)propan-1-ol
SMILESCc1ccc(OCC(CO)Cc2ccco2)cc1
InChIInChI=1S/C15H18O3/c1-12-4-6-14(7-5-12)18-11-13(10-16)9-15-3-2-8-17-15/h2-8,13,16H,9-11H2,1H3
InChIKeyNIOXCXYMXXMVJA-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.82
Rot. Bonds6

About 2-(furan-2-ylmethyl)-3-(4-methylphenoxy)propan-1-ol

2-(furan-2-ylmethyl)-3-(4-methylphenoxy)propan-1-ol (PubChem CID 117246279) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-3-(4-methylphenoxy)propan-1-ol.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-3-(4-methylphenoxy)propan-1-ol
PubChem CID117246279
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name2-(furan-2-ylmethyl)-3-(4-methylphenoxy)propan-1-ol
SMILESCc1ccc(OCC(CO)Cc2ccco2)cc1
InChIInChI=1S/C15H18O3/c1-12-4-6-14(7-5-12)18-11-13(10-16)9-15-3-2-8-17-15/h2-8,13,16H,9-11H2,1H3
InChIKeyNIOXCXYMXXMVJA-UHFFFAOYSA-N
XLogP2.82
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(furan-2-ylmethyl)-3-hydroxypropoxy]phenol
CID 117246268
1-(furan-2-yl)-3-(4-methoxyphenoxy)propan-2-ol
CID 117246167
4-methoxy-2-[(4-methylphenoxy)methyl]butan-1-ol
CID 117236908
1-(furan-2-yl)-3-(3-methylphenoxy)propan-2-ol
CID 117246130
2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)propan-1-ol
CID 66058670
(3R)-3-(furan-2-ylmethyl)-4-hydroxybutanoic acid
CID 142030961
3-[2-(aminomethyl)-3-(furan-2-yl)propoxy]phenol
CID 117246266
2-(2-ethylbutyl)furan
CID 68844643
2-(furan-2-ylmethyl)butyl 4-methylbenzenesulfonate
CID 21301478
N-[2-(furan-2-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110733528
3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)propanamide
CID 110296570
2-[1-(furan-2-yl)propan-2-ylamino]-3-methoxypropan-1-ol
CID 106186826

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-3-(4-methylphenoxy)propan-1-ol?
The IUPAC name of 2-(furan-2-ylmethyl)-3-(4-methylphenoxy)propan-1-ol (CID 117246279) is 2-(furan-2-ylmethyl)-3-(4-methylphenoxy)propan-1-ol.
What is the SMILES notation for 2-(furan-2-ylmethyl)-3-(4-methylphenoxy)propan-1-ol?
The canonical SMILES for 2-(furan-2-ylmethyl)-3-(4-methylphenoxy)propan-1-ol is Cc1ccc(OCC(CO)Cc2ccco2)cc1.
What is the InChIKey of 2-(furan-2-ylmethyl)-3-(4-methylphenoxy)propan-1-ol?
The InChIKey is NIOXCXYMXXMVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-12-4-6-14(7-5-12)18-11-13(10-16)9-15-3-2-8-17-15/h2-8,13,16H,9-11H2,1H3.
What are the key properties of 2-(furan-2-ylmethyl)-3-(4-methylphenoxy)propan-1-ol?
2-(furan-2-ylmethyl)-3-(4-methylphenoxy)propan-1-ol has a molecular weight of 246.31 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-3-(4-methylphenoxy)propan-1-ol is sourced from PubChem (CID 117246279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).